@MOLECULE methylpropenal 11 10 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.7191 0.7500 -0.0001 C.3 1 UNL11111111 -0.4482 2 H 2.6431 0.1543 0.0001 H 1 UNL11111111 0.1586 3 H 1.7625 1.3996 -0.8871 H 1 UNL11111111 0.1582 4 H 1.7625 1.4000 0.8867 H 1 UNL11111111 0.1582 5 C 0.4955 -0.0967 0.0000 C.2 1 UNL11111111 -0.1095 6 C 0.5143 -1.4323 0.0000 C.2 1 UNL11111111 -0.2361 7 H 1.4164 -2.0247 0.0000 H 1 UNL11111111 0.1461 8 H -0.3927 -2.0285 0.0001 H 1 UNL11111111 0.1657 9 C -0.7939 0.6383 0.0002 C.2 1 UNL11111111 0.3254 10 H -0.7564 1.7357 0.0004 H 1 UNL11111111 0.1108 11 O -1.8580 0.0655 -0.0001 O.2 1 UNL11111111 -0.4293 @BOND 1 3 1 1 2 11 9 2 3 1 5 1 4 1 2 1 5 1 4 1 6 7 6 1 7 5 6 2 8 5 9 1 9 6 8 1 10 9 10 1